General Information of the Compound
| Compound ID |
CP0386386
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| Compound Name |
3-[2-amino-5-(2-amino-2-carboxyethyl)-3-nitrophenyl]benzoic acid
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| Structure |
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| Formula |
C16H15N3O6
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| Molecular Weight |
345.311
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| Canonical SMILES |
NC(Cc1cc(c(N)c(c1)[N+]([O-])=O)-c1cccc(c1)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C16H15N3O6/c17-12(16(22)23)5-8-4-11(14(18)13(6-8)19(24)25)9-2-1-3-10(7-9)15(20)21/h1-4,6-7,12H,5,17-18H2,(H,20,21)(H,22,23)
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| InChIKey |
CMYUGLNLXWMBHM-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound